9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole

C180H111N3S4 — CID 161489455

IUPAC9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-n5c6ccccc6c6ccc(-c7cccc8c7sc7c(-c9ccccc9)cccc78)cc65)c4)ccc23)cc1.c1ccc(-c2cc(-c3ccccc3)c3sc4c(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccccc6c6ccccc56)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2cccc3c2sc2c(-c4ccc5c6ccc(-c7cccc8c7sc7c(-c9ccccc9)cccc78)cc6n(-c6cc7ccccc7c7ccccc67)c5c4)cccc23)cc1
InChIInChI=1S/C62H37NS2.C62H39NS.C56H35NS/c1-3-15-38(16-4-1)44-23-11-27-52-54-29-13-25-46(61(54)64-59(44)52)41-31-33-50-51-34-32-42(47-26-14-30-55-53-28-12-24-45(60(53)65-62(47)55)39-17-5-2-6-18-39)37-58(51)63(57(50)36-41)56-35-40-19-7-8-20-43(40)48-21-9-10-22-49(48)56;1-4-17-40(18-5-1)47-28-15-30-54-55-31-16-29-48(62(55)64-61(47)54)45-34-35-50-49-25-12-13-32-57(49)63(58(50)39-45)46-24-14-23-43(37-46)44-33-36-53-56(38-44)60(42-21-8-3-9-22-42)52-27-11-10-26-51(52)59(53)41-19-6-2-7-20-41;1-4-16-36(17-5-1)41-31-47(38-20-8-3-9-21-38)55-50(33-41)51-34-42(37-18-6-2-7-19-37)32-48(56(51)58-55)40-28-29-53-49(30-40)46-26-14-15-27-52(46)57(53)54-35-39-22-10-11-23-43(39)44-24-12-13-25-45(44)54/h1-37H;1-39H;1-35H
InChIKeyWFKIYHBFSCIHKL-UHFFFAOYSA-N
MW2444.16 g/mol
LogP52.41
Rot. Bonds16

About 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole

9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole (PubChem CID 161489455) has the molecular formula C180H111N3S4 and a molecular weight of 2444.16 g/mol. Its IUPAC name is 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole.

Molecular Properties

Compound Name9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole
PubChem CID161489455
Molecular FormulaC180H111N3S4
Molecular Weight2444.16 g/mol
Exact Mass2441.77
IUPAC Name9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-n5c6ccccc6c6ccc(-c7cccc8c7sc7c(-c9ccccc9)cccc78)cc65)c4)ccc23)cc1.c1ccc(-c2cc(-c3ccccc3)c3sc4c(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccccc6c6ccccc56)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2cccc3c2sc2c(-c4ccc5c6ccc(-c7cccc8c7sc7c(-c9ccccc9)cccc78)cc6n(-c6cc7ccccc7c7ccccc67)c5c4)cccc23)cc1
InChIInChI=1S/C62H37NS2.C62H39NS.C56H35NS/c1-3-15-38(16-4-1)44-23-11-27-52-54-29-13-25-46(61(54)64-59(44)52)41-31-33-50-51-34-32-42(47-26-14-30-55-53-28-12-24-45(60(53)65-62(47)55)39-17-5-2-6-18-39)37-58(51)63(57(50)36-41)56-35-40-19-7-8-20-43(40)48-21-9-10-22-49(48)56;1-4-17-40(18-5-1)47-28-15-30-54-55-31-16-29-48(62(55)64-61(47)54)45-34-35-50-49-25-12-13-32-57(49)63(58(50)39-45)46-24-14-23-43(37-46)44-33-36-53-56(38-44)60(42-21-8-3-9-22-42)52-27-11-10-26-51(52)59(53)41-19-6-2-7-20-41;1-4-16-36(17-5-1)41-31-47(38-20-8-3-9-21-38)55-50(33-41)51-34-42(37-18-6-2-7-19-37)32-48(56(51)58-55)40-28-29-53-49(30-40)46-26-14-15-27-52(46)57(53)54-35-39-22-10-11-23-43(39)44-24-12-13-25-45(44)54/h1-37H;1-39H;1-35H
InChIKeyWFKIYHBFSCIHKL-UHFFFAOYSA-N
XLogP52.41
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms187
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002444.16
LogP ≤ 552.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole with MolForge

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Related Compounds

9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole;9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole
CID 158975044
2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3,6-di(dibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole;9-[3-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 161294755
9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,7-bis(2,8-diphenyldibenzothiophen-4-yl)carbazole;3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)phenyl]carbazole;49-phenyl-11-(6-phenyldibenzothiophen-4-yl)-25-thia-7-azatridecacyclo[40.10.2.12,6.114,18.07,15.08,13.019,24.023,27.026,31.032,37.036,41.043,48.050,54]hexapentaconta-1(53),2(56),3,5,8(13),9,11,14,16,18(55),19(24),20,22,26(31),27,29,32,34,36,38,40,42(54),43,45,47,49,51-heptacosaene
CID 158297236
3-(6-phenanthren-2-yldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156657
3-(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156348
3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 58099686
2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-2,7-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole
CID 159517353
methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 158753053
4-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,6-diphenyldibenzothiophene
CID 58261967
3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
CID 87156299
3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole
CID 88594595
9-[4-(10-phenylanthracen-9-yl)phenyl]-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole
CID 87156483

Frequently Asked Questions

What is the IUPAC name of 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole?
The IUPAC name of 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole (CID 161489455) is 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole.
What is the SMILES notation for 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole?
The canonical SMILES for 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-n5c6ccccc6c6ccc(-c7cccc8c7sc7c(-c9ccccc9)cccc78)cc65)c4)ccc23)cc1.c1ccc(-c2cc(-c3ccccc3)c3sc4c(-c5ccc6c(c5)c5ccccc5n6-c5cc6ccccc6c6ccccc56)cc(-c5ccccc5)cc4c3c2)cc1.c1ccc(-c2cccc3c2sc2c(-c4ccc5c6ccc(-c7cccc8c7sc7c(-c9ccccc9)cccc78)cc6n(-c6cc7ccccc7c7ccccc67)c5c4)cccc23)cc1.
What is the InChIKey of 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole?
The InChIKey is WFKIYHBFSCIHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37NS2.C62H39NS.C56H35NS/c1-3-15-38(16-4-1)44-23-11-27-52-54-29-13-25-46(61(54)64-59(44)52)41-31-33-50-51-34-32-42(47-26-14-30-55-53-28-12-24-45(60(53)65-62(47)55)39-17-5-2-6-18-39)37-58(51)63(57(50)36-41)56-35-40-19-7-8-20-43(40)48-21-9-10-22-49(48)56;1-4-17-40(18-5-1)47-28-15-30-54-55-31-16-29-48(62(55)64-61(47)54)45-34-35-50-49-25-12-13-32-57(49)63(58(50)39-45)46-24-14-23-43(37-46)44-33-36-53-56(38-44)60(42-21-8-3-9-22-42)52-27-11-10-26-51(52)59(53)41-19-6-2-7-20-41;1-4-16-36(17-5-1)41-31-47(38-20-8-3-9-21-38)55-50(33-41)51-34-42(37-18-6-2-7-19-37)32-48(56(51)58-55)40-28-29-53-49(30-40)46-26-14-15-27-52(46)57(53)54-35-39-22-10-11-23-43(39)44-24-12-13-25-45(44)54/h1-37H;1-39H;1-35H.
What are the key properties of 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole?
9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole has a molecular weight of 2444.16 g/mol, XLogP of 52.41, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole;9-phenanthren-9-yl-3-(2,6,8-triphenyldibenzothiophen-4-yl)carbazole is sourced from PubChem (CID 161489455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).